Basic information
- Standard SMILES
COc1cn(-c2ccc(N3CCC(F)(F)CC3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O- InChIKey
QTRNWDDHUDYXKK-UHFFFAOYSA-N- Molecular formula
- C25H22F3N5O2
- Average molar mass
- 481.5 g/mol
- Monoisotopic mass
- 481.17255945
Names & identifiers
- Preferred name
- 1-[4-(4,4-Difluoropiperidin-1-yl)-2-fluorophenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one
- IUPAC
- 1-[4-(4,4-difluoropiperidin-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
Names & synonyms
1-[4-(4,4-Difluoropiperidin-1-yl)-2-fluorophenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-oneSCHEMBL520593
Database identifiers
- PubChem CID
- 58072452
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 837
Related reactions
6 records
Compound notes
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